Geometry & MOs

Info

ID:	333976
PubChem CID:	127252528
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	439.085636
ΔH_f, kcal/mol:	61.77
Dipole, Da:	3.22
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(4-hydroxythiolan-3-yl)amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC2=C(C1)NC3=CC=CC=C23)N4C=NN=N4

DOS

IR

Vibrations